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Glycerol Trivalerate

CAT: 0572-TRC-G598250-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-G598250-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
620-68-8
Synonyms
Glycerol Trivalerate
Hazard Statement
No Data Available
Smiles
CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC
Molecular Formula
C18 H32 O6
Molecular Weight
344.443
InChI
InChI=1S/C18H32O6/c1-4-7-10-16(19)22-13-15(24-18(21)12-9-6-3)14-23-17(20)11-8-5-2/h15H,4-14H2,1-3H3
Additionnal Information
IUPAC name: 2,3-di(pentanoyloxy)propyl pentanoate
Shipping Conditions
Room Temperature

Chemical Information

Trivalerin
CAS Number620-68-8
PubChem CID69287
IUPAC Name2,3-di(pentanoyloxy)propyl pentanoate
Molecular FormulaC18H32O6
Molecular Weight344.4
XLogP4.1
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count24
Formal Charge0
Complexity343
SMILES
CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC
InChI
InChI=1S/C18H32O6/c1-4-7-10-16(19)22-13-15(24-18(21)12-9-6-3)14-23-17(20)11-8-5-2/h15H,4-14H2,1-3H3
InChIKey
PZJLFHDNXGAZHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trivalerin
CAS: 620-68-8
CID: 69287
Formula: C18H32O6
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass344.21988874
Monoisotopic Mass344.21988874
Topological Polar Surface Area78.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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